(3S)-3-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine

C15H20F3NO — CID 887526

IUPAC(3S)-3-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
SMILESC[C@H]1CCCN(CCOc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20F3NO/c1-12-4-3-7-19(11-12)8-9-20-14-6-2-5-13(10-14)15(16,17)18/h2,5-6,10,12H,3-4,7-9,11H2,1H3/t12-/m0/s1
InChIKeySFIRIVJTEQKOBT-LBPRGKRZSA-N
MW287.32 g/mol
LogP3.82
Rot. Bonds4

About (3S)-3-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine

(3S)-3-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine (PubChem CID 887526) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is (3S)-3-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name(3S)-3-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
PubChem CID887526
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name(3S)-3-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
SMILESC[C@H]1CCCN(CCOc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20F3NO/c1-12-4-3-7-19(11-12)8-9-20-14-6-2-5-13(10-14)15(16,17)18/h2,5-6,10,12H,3-4,7-9,11H2,1H3/t12-/m0/s1
InChIKeySFIRIVJTEQKOBT-LBPRGKRZSA-N
XLogP3.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine?
The IUPAC name of (3S)-3-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine (CID 887526) is (3S)-3-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine.
What is the SMILES notation for (3S)-3-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine?
The canonical SMILES for (3S)-3-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine is C[C@H]1CCCN(CCOc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (3S)-3-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine?
The InChIKey is SFIRIVJTEQKOBT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-12-4-3-7-19(11-12)8-9-20-14-6-2-5-13(10-14)15(16,17)18/h2,5-6,10,12H,3-4,7-9,11H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-3-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine?
(3S)-3-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine has a molecular weight of 287.32 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine is sourced from PubChem (CID 887526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).